A0A087YPK9_POEFO Loading...

Transmembrane protein 141

AlphaFold DB , UniProt , Accession A0A087YPK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 127 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.8Very low57.4Low244 Ų244118.8 Ų118.8100%1.20265%0.652SS**  0109.80-77165168.500106.8
2V48.5Very low58Low120 Ų120113.9 Ų113.973%0.72764%0.639SS**  trans-91.5140.3-169-72.80000109.7L4V2-L4 HydrophobicContact CB-CD1 4.49Å; V2-L4 HydrophobicContact CG2-CD1 3.51Å; V2-L4 PolarHBondContact O-N 3.21Å
3N50Low58.4Low119 Ų119110.6 Ų110.664%0.63662%0.618SS**  trans-6661.6-178.9-79-68.6000112.7G5 L6 T7N3-G5 PolarHBondContact O-N 3.02Å; N3-L6 HydrophobicContact CB-CB 4.33Å; N3-L6 HydrophobicContact CB-CD1 3.95Å; N3-L6 PolarHBondContact O-N 3.01Å; N3-T7 PolarHBondContact O-N 2.86Å; N3-T7 PolarHBondContact O-OG1 3.27Å
4L58.8Low58.6Low122 Ų122104.3 Ų104.364%0.63959%0.586SS**Hα-helixtrans-61.2-25.2-179.5-120.381.9000112.8V2 T7 K8V2-L4 HydrophobicContact CB-CD1 4.49Å; V2-L4 HydrophobicContact CG2-CD1 3.51Å; V2-L4 PolarHBondContact O-N 3.21Å; L4-T7 WeakPolarHBondContact CA-OG1 3.44Å; L4-T7 PolarHBondContact O-OG1 2.9Å; L4-K8 PolarHBondContact O-N 3.22Å
5G60.1Low58.8Low53 Ų53103 Ų10355%0.54659%0.594SS.*Hα-helixtrans-72.5-41178.700000113.3N3 V9N3-G5 PolarHBondContact O-N 3.02Å; G5-V9 VanDerWaalsContact O-CG2 3.3Å; G5-V9 WeakPolarHBondContact O-CG2 3.21Å; G5-V9 PolarHBondContact O-N 3.48Å
6L60.4Low59.2Low106 Ų106107.1 Ų107.156%0.55560%0.603SS**Hα-helixtrans-66-45.6177.3-88.1141.7000110.8N3 K8 V9 D10N3-L6 HydrophobicContact CB-CB 4.33Å; N3-L6 HydrophobicContact CB-CD1 3.95Å; N3-L6 PolarHBondContact O-N 3.01Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.36Å; L6-V9 PolarHBondContact O-N 3.32Å; L6-V9 VanDerWaalsContact O-N 3.1Å; L6-D10 PolarHBondContact O-N 3.27Å; L6-D10 VanDerWaalsContact O-OD2 3.08Å
7T60.7Low59.2Low80 Ų80105.7 Ų105.749%0.49159%0.59SS.*Hα-helixtrans-61.6-36.5179.2480000113.2N3 L4 D11N3-T7 PolarHBondContact O-N 2.86Å; N3-T7 PolarHBondContact O-OG1 3.27Å; L4-T7 WeakPolarHBondContact CA-OG1 3.44Å; L4-T7 PolarHBondContact O-OG1 2.9Å; T7-D11 PolarHBondContact O-N 2.88Å
8K60.7Low59.2Low165 Ų165104.8 Ų104.872%0.71759%0.589SS**Hα-helixtrans-70.2-34.5175.9-102.2-165.4178.1176.10113L4 L6 A12L4-K8 PolarHBondContact O-N 3.22Å; L6-K8 VanDerWaalsContact C-N 3.32Å; L6-K8 PolarHBondContact O-N 3.36Å; K8-A12 WeakPolarHBondContact O-CB 3.31Å; K8-A12 PolarHBondContact O-N 3.46Å
9V65.1Low59.4Low86 Ų8699.3 Ų99.352%0.52156%0.559SS.*Hα-helixtrans-70.5-41.7176.6171.70000109.7G5 L6 A12 I13G5-V9 VanDerWaalsContact O-CG2 3.3Å; G5-V9 WeakPolarHBondContact O-CG2 3.21Å; G5-V9 PolarHBondContact O-N 3.48Å; L6-V9 PolarHBondContact O-N 3.32Å; L6-V9 VanDerWaalsContact O-N 3.1Å; V9-A12 PolarHBondContact O-N 3Å; V9-I13 HydrophobicContact CG1-CD1 3.55Å; V9-I13 HydrophobicContact CG1-CG1 4.4Å; V9-I13 WeakPolarHBondContact O-CB 3.1Å; V9-I13 WeakPolarHBondContact O-CD1 3.32Å; V9-I13 WeakPolarHBondContact O-CG1 3.43Å; V9-I13 PolarHBondContact O-N 3.03Å
10D65.1Low59.5Low99 Ų9998.5 Ų98.553%0.52955%0.553SS.*Hα-helixtrans-59.8-44172.1-80.9-66.3000112.1L6 I13 A14L6-D10 PolarHBondContact O-N 3.27Å; L6-D10 VanDerWaalsContact O-OD2 3.08Å; D10-I13 PolarHBondContact O-N 3.4Å; D10-A14 WeakPolarHBondContact O-CB 3.23Å; D10-A14 PolarHBondContact O-N 3.18Å
11D63.4Low59.8Low113 Ų113100.4 Ų100.460%0.60456%0.557SS**Hα-helixtrans-65.2-40.2175.9-89.8-27.9000112.6T7 I13 A15T7-D11 PolarHBondContact O-N 2.88Å; D11-I13 VanDerWaalsContact C-N 3.33Å; D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 2.82Å
12A64.3Low61Low60 Ų6091.6 Ų91.650%0.49652%0.52SS..Hα-helixtrans-69.3-32177.800000112.6K8 V9K8-A12 WeakPolarHBondContact O-CB 3.31Å; K8-A12 PolarHBondContact O-N 3.46Å; V9-A12 PolarHBondContact O-N 3Å
13I63.3Low61.6Low71 Ų7190.1 Ų90.136%0.36450%0.502SS..Hα-helixtrans-78.1-40.8175.4-70.5166.9000110.7V9 D10 D11 A15 K16 H17 L20V9-I13 HydrophobicContact CG1-CD1 3.55Å; V9-I13 HydrophobicContact CG1-CG1 4.4Å; V9-I13 WeakPolarHBondContact O-CB 3.1Å; V9-I13 WeakPolarHBondContact O-CD1 3.32Å; V9-I13 WeakPolarHBondContact O-CG1 3.43Å; V9-I13 PolarHBondContact O-N 3.03Å; D10-I13 PolarHBondContact O-N 3.4Å; D11-I13 VanDerWaalsContact C-N 3.33Å; I13-A15 PolarHBondContact O-N 3.47Å; I13-K16 PolarHBondContact O-N 3.47Å; I13-H17 PolarHBondContact O-N 3.29Å; I13-L20 HydrophobicContact CG2-CD2 4.28Å
14A61.8Low62.4Low22 Ų2287 Ų8718%0.18249%0.492CS..Hα-helixtrans-61.9-33.6175.300000112D10 K16 H17 P18D10-A14 WeakPolarHBondContact O-CB 3.23Å; D10-A14 PolarHBondContact O-N 3.18Å; A14-K16 VanDerWaalsContact C-N 3.32Å; A14-K16 PolarHBondContact O-N 3.48Å; A14-H17 CarbonylContact O-C 3.4Å; A14-P18 WeakPolarHBondContact O-CA 3.19Å
15A60.7Low62.8Low85 Ų8584.1 Ų84.170%0.70249%0.486SS*.Hα-helixtrans-68.1-28.2173.500000113.6D11 I13D11-A15 WeakPolarHBondContact O-CB 3.44Å; D11-A15 PolarHBondContact O-N 2.82Å; I13-A15 PolarHBondContact O-N 3.47Å
16K65.1Low63Low169 Ų16983.3 Ų83.374%0.73547%0.472SS*.Hα-helixtrans-89.4-31.5176.7-78.7-175.7175.8-179.60113.3I13 A14I13-K16 PolarHBondContact O-N 3.47Å; A14-K16 VanDerWaalsContact C-N 3.32Å; A14-K16 PolarHBondContact O-N 3.48Å
17H59.1Low63.4Low83 Ų8382 Ų8238%0.38446%0.463SS..  trans-134.582.6180-62.5-71.8000110.1I13 A14 G19 L20 E94I13-H17 PolarHBondContact O-N 3.29Å; A14-H17 CarbonylContact O-C 3.4Å; H17-G19 PolarHBondContact O-N 3.29Å; H17-L20 HydrophobicContact CB-CD1 3.95Å; H17-L20 PolarHBondContact O-N 3.18Å; H17-E94 IonicContact CE1-OE1 2.72Å; H17-E94 IonicContact ND1-OE1 3.69Å; H17-E94 PolarHBondContact ND1-OE1 3.42Å
18P59.8Low63.8Low89 Ų8981.5 Ų81.558%0.57846%0.462SS*.Hα-helixtrans-61.4-18.5-177.224.7-34000113.1A14A14-P18 WeakPolarHBondContact O-CA 3.19Å
19G62.4Low64.2Low1 Ų179.2 Ų79.21%0.0145%0.454CS..Hα-helixtrans-67.9-32.417400000114H17 Q21 S22 Y23 W90H17-G19 PolarHBondContact O-N 3.29Å; G19-Q21 VanDerWaalsContact C-N 3.32Å; G19-Q21 PolarHBondContact O-N 2.89Å; G19-S22 WeakPolarHBondContact O-CB 3.35Å; G19-S22 PolarHBondContact O-N 3.48Å; G19-S22 VanDerWaalsContact O-N 3.07Å; G19-Y23 PolarHBondContact O-N 3.04Å; G19-W90 VanDerWaalsContact CA-NE1 3.31Å; G19-W90 PolarHBondContact O-NE1 2.85Å
20L62.9Low64.5Low83 Ų8375.2 Ų75.244%0.43543%0.43SS..Hα-helixtrans-61.6-39.2-170-122.5105.3000112.9I13 H17 S22 Y23 A24I13-L20 HydrophobicContact CG2-CD2 4.28Å; H17-L20 HydrophobicContact CB-CD1 3.95Å; H17-L20 PolarHBondContact O-N 3.18Å; L20-S22 VanDerWaalsContact C-N 3.35Å; L20-Y23 PolarHBondContact O-N 3.44Å; L20-A24 PolarHBondContact O-N 2.92Å
21Q64.3Low64.7Low138 Ų13875.7 Ų75.765%0.64543%0.428SS*.Hα-helixtrans-68.8-37.7178.2-157.4-170.917.100111.4G19 A24 A25G19-Q21 VanDerWaalsContact C-N 3.32Å; G19-Q21 PolarHBondContact O-N 2.89Å; Q21-A24 PolarHBondContact O-N 3.27Å; Q21-A25 WeakPolarHBondContact O-CB 3.34Å; Q21-A25 PolarHBondContact O-N 3.41Å
22S63.7Low65.4Low60 Ų6077.5 Ų77.542%0.4243%0.434SS..Hα-helixtrans-67.5-37.3176.2-64.40000111.4G19 L20 C26G19-S22 WeakPolarHBondContact O-CB 3.35Å; G19-S22 PolarHBondContact O-N 3.48Å; G19-S22 VanDerWaalsContact O-N 3.07Å; L20-S22 VanDerWaalsContact C-N 3.35Å; S22-C26 WeakPolarHBondContact O-CB 3.4Å; S22-C26 PolarHBondContact O-N 3.48Å
23Y61.4Low66Low89 Ų8978.9 Ų78.935%0.34943%0.429SS..Hα-helixtrans-63.5-46.1172.6177.8-97.4000111.9G19 L20 C26 Q27G19-Y23 PolarHBondContact O-N 3.04Å; L20-Y23 PolarHBondContact O-N 3.44Å; Y23-C26 PolarHBondContact O-N 3.31Å; Y23-Q27 VanDerWaalsContact CE1-OE1 3.3Å; Y23-Q27 VanDerWaalsContact O-CB 3.29Å; Y23-Q27 WeakPolarHBondContact O-CB 3.26Å; Y23-Q27 PolarHBondContact O-N 3.38Å
24A66.6Low66.6Low53 Ų5375.8 Ų75.844%0.43841%0.414SS..Hα-helixtrans-64.3-41.9178.800000112.8L20 Q21 C26 Q27 S28L20-A24 PolarHBondContact O-N 2.92Å; Q21-A24 PolarHBondContact O-N 3.27Å; A24-C26 VanDerWaalsContact C-N 3.33Å; A24-C26 PolarHBondContact O-N 2.91Å; A24-Q27 PolarHBondContact O-N 3.02Å; A24-S28 PolarHBondContact O-N 3.4Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 3.21Å
25A67Low67.4Low61 Ų6179.2 Ų79.250%0.50443%0.433SS..Hα-helixtrans-63.5-39.6173.800000111.7Q21 S28 H29Q21-A25 WeakPolarHBondContact O-CB 3.34Å; Q21-A25 PolarHBondContact O-N 3.41Å; A25-S28 PolarHBondContact O-OG 2.96Å; A25-H29 WeakPolarHBondContact O-CB 3.4Å; A25-H29 PolarHBondContact O-N 3.42Å; A25-H29 VanDerWaalsContact O-N 3.13Å
26C65.3Low68.4Low36 Ų3676.9 Ų76.924%0.24342%0.417CS..Hα-helixtrans-75.2-34.8-180-1530000112.6S22 Y23 A24 H29 A30 C86S22-C26 WeakPolarHBondContact O-CB 3.4Å; S22-C26 PolarHBondContact O-N 3.48Å; Y23-C26 PolarHBondContact O-N 3.31Å; A24-C26 VanDerWaalsContact C-N 3.33Å; A24-C26 PolarHBondContact O-N 2.91Å; C26-H29 PolarHBondContact O-N 2.84Å; C26-A30 VanDerWaalsContact O-CB 3.31Å; C26-A30 WeakPolarHBondContact O-CB 3.18Å; C26-A30 PolarHBondContact O-N 3.22Å; C26-C86 VanDerWaalsContact C-SG 3.54Å; C26-C86 HydrophobicContact CB-CB 3.56Å; C26-C86 WeakPolarHBondContact CB-SG 3.36Å; C26-C86 PolarHBondContact O-SG 2.86Å; C26-C86 VanDerWaalsContact O-SG 3.33Å; C26-C86 WeakPolarHBondContact SG-CA 3.29Å; C26-C86 WeakPolarHBondContact SG-CB 3.44Å; C26-C86 CovalentContact SG-SG 2Å; C26-C86 PolarHBondContact SG-SG 3.38Å
27Q69.1Low69.1Low78 Ų7871.2 Ų71.236%0.36440%0.397SS..Hα-helixtrans-60.8-48.8173.9-178.5177.2-3.200110.8Y23 A24 H29 A30 F31Y23-Q27 VanDerWaalsContact CE1-OE1 3.3Å; Y23-Q27 VanDerWaalsContact O-CB 3.29Å; Y23-Q27 WeakPolarHBondContact O-CB 3.26Å; Y23-Q27 PolarHBondContact O-N 3.38Å; A24-Q27 PolarHBondContact O-N 3.02Å; Q27-H29 PolarHBondContact O-N 2.86Å; Q27-A30 PolarHBondContact O-N 3.44Å; Q27-F31 HydrophobicContact CG-CD2 3.76Å; Q27-F31 HydrophobicContact CG-CE2 3.54Å; Q27-F31 WeakPolarHBondContact O-CD2 3.47Å; Q27-F31 PolarHBondContact O-N 3.02Å
28S68.6Low70Confident70 Ų7071.1 Ų71.149%0.4940%0.396SS..Hα-helixtrans-64.1-38.5177.459.80000112.7A24 A25 F31 M32A24-S28 PolarHBondContact O-N 3.4Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 3.21Å; A25-S28 PolarHBondContact O-OG 2.96Å; S28-F31 PolarHBondContact O-N 2.83Å; S28-M32 WeakPolarHBondContact O-CB 3.31Å; S28-M32 PolarHBondContact O-N 3.31Å
29H70.3Confident71.1Confident117 Ų11769.4 Ų69.454%0.54239%0.389SS..Hα-helixtrans-65.6-42.1174.2-175.8-101.1000112.7A25 C26 Q27 M32 K33A25-H29 WeakPolarHBondContact O-CB 3.4Å; A25-H29 PolarHBondContact O-N 3.42Å; A25-H29 VanDerWaalsContact O-N 3.13Å; C26-H29 PolarHBondContact O-N 2.84Å; Q27-H29 PolarHBondContact O-N 2.86Å; H29-M32 PolarHBondContact O-N 2.93Å; H29-K33 WeakPolarHBondContact O-CB 3.32Å; H29-K33 PolarHBondContact O-N 3.38Å
30A71.3Confident72.2Confident2 Ų275.7 Ų75.72%0.01742%0.421CS..Hα-helixtrans-64-4117600000111.9C26 Q27 G34 E82C26-A30 VanDerWaalsContact O-CB 3.31Å; C26-A30 WeakPolarHBondContact O-CB 3.18Å; C26-A30 PolarHBondContact O-N 3.22Å; Q27-A30 PolarHBondContact O-N 3.44Å; A30-G34 PolarHBondContact O-N 3.47Å; A30-E82 HydrophobicContact CB-CB 4.13Å
31F69.4Low73.2Confident110 Ų11073 Ų7348%0.48241%0.414SS..Hα-helixtrans-64.3-44.2173.2-82.5-65.8000112.1Q27 S28 K33 G34 T35Q27-F31 HydrophobicContact CG-CD2 3.76Å; Q27-F31 HydrophobicContact CG-CE2 3.54Å; Q27-F31 WeakPolarHBondContact O-CD2 3.47Å; Q27-F31 PolarHBondContact O-N 3.02Å; S28-F31 PolarHBondContact O-N 2.83Å; F31-K33 PolarHBondContact O-N 2.96Å; F31-G34 PolarHBondContact O-N 2.92Å; F31-T35 PolarHBondContact O-N 2.88Å; F31-T35 PolarHBondContact O-OG1 3.34Å; F31-T35 VanDerWaalsContact O-OG1 3.09Å
32M77.3Confident74Confident150 Ų15068.7 Ų68.774%0.73940%0.397SS*.Hα-helixtrans-65-41.8-180-166.9158.9-70.900112.1S28 H29 T35 G36S28-M32 WeakPolarHBondContact O-CB 3.31Å; S28-M32 PolarHBondContact O-N 3.31Å; H29-M32 PolarHBondContact O-N 2.93Å; M32-T35 PolarHBondContact O-N 2.91Å; M32-G36 PolarHBondContact O-N 3.12Å
33K76.7Confident74.9Confident90 Ų9070.2 Ų70.239%0.39140%0.404SS..Hα-helixtrans-66.5-39.4174.7-166.9175.4-178.1-178.40111.9H29 F31 G36 T37 E82H29-K33 WeakPolarHBondContact O-CB 3.32Å; H29-K33 PolarHBondContact O-N 3.38Å; F31-K33 PolarHBondContact O-N 2.96Å; K33-G36 PolarHBondContact O-N 2.95Å; K33-T37 WeakPolarHBondContact O-CB 3.39Å; K33-T37 VanDerWaalsContact O-CG2 3.31Å; K33-T37 WeakPolarHBondContact O-CG2 3.28Å; K33-T37 PolarHBondContact O-N 3.36Å; K33-T37 PolarHBondContact O-OG1 3.17Å; K33-E82 HydrophobicContact CD-CG 4.18Å; K33-E82 WeakPolarHBondContact CE-OE1 3.09Å; K33-E82 IonicContact NZ-OE1 3.99Å; K33-E82 PolarHBondContact NZ-OE1 3.49Å; K33-E82 IonicContact NZ-OE2 3.03Å
34G75.4Confident76Confident5 Ų567.6 Ų67.65%0.05240%0.404CS..Hα-helixtrans-60.1-48.7173.900000112.7A30 F31 T37 F38 T79A30-G34 PolarHBondContact O-N 3.47Å; F31-G34 PolarHBondContact O-N 2.92Å; G34-T37 PolarHBondContact O-N 3.5Å; G34-T37 PolarHBondContact O-OG1 3.46Å; G34-F38 WeakPolarHBondContact O-CB 3.26Å; G34-F38 PolarHBondContact O-N 3.07Å; G34-T79 WeakPolarHBondContact CA-OG1 3.32Å
35T79.3Confident76.8Confident95 Ų9569.4 Ų69.458%0.58340%0.402SS*.Hα-helixtrans-66-41.3177.7-55.60000112.1F31 M32 F38 A39F31-T35 PolarHBondContact O-N 2.88Å; F31-T35 PolarHBondContact O-OG1 3.34Å; F31-T35 VanDerWaalsContact O-OG1 3.09Å; M32-T35 PolarHBondContact O-N 2.91Å; T35-F38 PolarHBondContact O-N 2.88Å; T35-A39 PolarHBondContact O-N 3Å
36G81.4Confident77.3Confident35 Ų3571.3 Ų71.336%0.36140%0.399SS..Hα-helixtrans-63.6-43.7177.400000112.9M32 K33 A39 L40M32-G36 PolarHBondContact O-N 3.12Å; K33-G36 PolarHBondContact O-N 2.95Å; G36-A39 PolarHBondContact O-N 3.3Å; G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 WeakPolarHBondContact O-CG 3.42Å; G36-L40 PolarHBondContact O-N 3.47Å
37T79.6Confident78.1Confident51 Ų5172.4 Ų72.431%0.31341%0.41SS..Hα-helixtrans-69.9-32.5176.551.90000112.7K33 G34 G41K33-T37 WeakPolarHBondContact O-CB 3.39Å; K33-T37 VanDerWaalsContact O-CG2 3.31Å; K33-T37 WeakPolarHBondContact O-CG2 3.28Å; K33-T37 PolarHBondContact O-N 3.36Å; K33-T37 PolarHBondContact O-OG1 3.17Å; G34-T37 PolarHBondContact O-N 3.5Å; G34-T37 PolarHBondContact O-OG1 3.46Å; T37-G41 WeakPolarHBondContact O-CA 3.35Å; T37-G41 PolarHBondContact O-N 3.45Å
38F79.3Confident78.8Confident81 Ų8173.7 Ų73.736%0.35542%0.419SS..Hα-helixtrans-61.9-51.9170.7-178.4-109.5000111.7G34 T35 L40 G41 V42 S71 S75G34-F38 WeakPolarHBondContact O-CB 3.26Å; G34-F38 PolarHBondContact O-N 3.07Å; T35-F38 PolarHBondContact O-N 2.88Å; F38-L40 PolarHBondContact O-N 3.36Å; F38-G41 PolarHBondContact O-N 3.4Å; F38-G41 VanDerWaalsContact O-N 3.14Å; F38-V42 HydrophobicContact CD1-CG2 4.5Å; F38-V42 HydrophobicContact CD2-CG2 4.27Å; F38-V42 HydrophobicContact CE1-CG2 4.15Å; F38-V42 HydrophobicContact CE2-CG2 3.92Å; F38-V42 HydrophobicContact CZ-CG2 3.85Å; F38-V42 WeakPolarHBondContact O-CG2 3.4Å; F38-V42 PolarHBondContact O-N 3.2Å; F38-S71 WeakPolarHBondContact CD2-OG 3.39Å; F38-S75 WeakPolarHBondContact CA-OG 3.49Å; F38-S75 WeakPolarHBondContact CB-OG 2.94Å; F38-S75 WeakPolarHBondContact CD2-OG 3.28Å
39A82.6Confident79.1Confident52 Ų5271.4 Ų71.443%0.4340%0.4SS..Hα-helixtrans-61.4-43.8-178.500000112.1T35 G36 T43T35-A39 PolarHBondContact O-N 3Å; G36-A39 PolarHBondContact O-N 3.3Å; A39-T43 WeakPolarHBondContact O-CB 3.3Å; A39-T43 PolarHBondContact O-N 3.03Å; A39-T43 PolarHBondContact O-OG1 3.02Å
40L85.8Confident79.4Confident133 Ų13371.1 Ų71.170%0.69640%0.397SS*.Hα-helixtrans-66.9-38.4174.5-72.5176.3000112.1G36 F38 T43 G44G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 WeakPolarHBondContact O-CG 3.42Å; G36-L40 PolarHBondContact O-N 3.47Å; F38-L40 PolarHBondContact O-N 3.36Å; L40-T43 PolarHBondContact O-N 3.43Å; L40-G44 PolarHBondContact O-N 3.12Å
41G82.1Confident79.8Confident28 Ų2874 Ų7429%0.28942%0.421SS..Hα-helixtrans-60.5-52.1177.300000112.3T37 F38 T43 G44 F45T37-G41 WeakPolarHBondContact O-CA 3.35Å; T37-G41 PolarHBondContact O-N 3.45Å; F38-G41 PolarHBondContact O-N 3.4Å; F38-G41 VanDerWaalsContact O-N 3.14Å; G41-T43 VanDerWaalsContact C-N 3.34Å; G41-T43 PolarHBondContact O-N 3.03Å; G41-G44 PolarHBondContact O-N 3.33Å; G41-F45 WeakPolarHBondContact O-CB 3.21Å; G41-F45 PolarHBondContact O-N 3.39Å
42V81.3Confident80.1Confident46 Ų4673.9 Ų73.928%0.27943%0.425SS..Hα-helixtrans-58.5-46177174.70000111.1F38 F46 S71F38-V42 HydrophobicContact CD1-CG2 4.5Å; F38-V42 HydrophobicContact CD2-CG2 4.27Å; F38-V42 HydrophobicContact CE1-CG2 4.15Å; F38-V42 HydrophobicContact CE2-CG2 3.92Å; F38-V42 HydrophobicContact CZ-CG2 3.85Å; F38-V42 WeakPolarHBondContact O-CG2 3.4Å; F38-V42 PolarHBondContact O-N 3.2Å; V42-F46 VanDerWaalsContact O-CB 3.28Å; V42-F46 WeakPolarHBondContact O-CB 3.35Å; V42-F46 PolarHBondContact O-N 3.21Å; V42-S71 VanDerWaalsContact CG2-OG 3.28Å; V42-S71 WeakPolarHBondContact CG2-OG 3.41Å
43T83.6Confident79.7Confident93 Ų9369.1 Ų69.157%0.57140%0.401SS*.Hα-helixtrans-65.4-44.2-178.4-51.70000111.4A39 L40 G41 F46 A47A39-T43 WeakPolarHBondContact O-CB 3.3Å; A39-T43 PolarHBondContact O-N 3.03Å; A39-T43 PolarHBondContact O-OG1 3.02Å; L40-T43 PolarHBondContact O-N 3.43Å; G41-T43 VanDerWaalsContact C-N 3.34Å; G41-T43 PolarHBondContact O-N 3.03Å; T43-F46 PolarHBondContact O-N 3.31Å; T43-A47 WeakPolarHBondContact O-CB 3.37Å; T43-A47 PolarHBondContact O-N 2.87Å
44G85.1Confident79.5Confident33 Ų3370.8 Ų70.834%0.3442%0.418SS..Hα-helixtrans-64.6-46.2177.400000112.5L40 G41 F46 A47 I48L40-G44 PolarHBondContact O-N 3.12Å; G41-G44 PolarHBondContact O-N 3.33Å; G44-F46 VanDerWaalsContact C-N 3.34Å; G44-F46 PolarHBondContact O-N 3.27Å; G44-A47 PolarHBondContact O-N 3.39Å; G44-I48 VanDerWaalsContact O-CG1 3.3Å; G44-I48 WeakPolarHBondContact O-CG1 3.31Å; G44-I48 PolarHBondContact O-N 2.89Å
45F81.6Confident79.1Confident92 Ų9281.2 Ų81.240%0.40446%0.456SS..Hα-helixtrans-62.9-41.1177.5-122.4-96.5000111.6G41 I48 Q49G41-F45 WeakPolarHBondContact O-CB 3.21Å; G41-F45 PolarHBondContact O-N 3.39Å; F45-I48 PolarHBondContact O-N 2.88Å; F45-Q49 HydrophobicContact CD1-CG 4.5Å; F45-Q49 WeakPolarHBondContact O-CB 3.29Å; F45-Q49 WeakPolarHBondContact O-CG 3.43Å; F45-Q49 PolarHBondContact O-N 3.49Å
46F78.2Confident78.4Confident101 Ų10182 Ų8244%0.44346%0.456SS..Hα-helixtrans-64-41.3176.8-174.5-102.3000112.3V42 T43 G44 Q49 K50V42-F46 VanDerWaalsContact O-CB 3.28Å; V42-F46 WeakPolarHBondContact O-CB 3.35Å; V42-F46 PolarHBondContact O-N 3.21Å; T43-F46 PolarHBondContact O-N 3.31Å; G44-F46 VanDerWaalsContact C-N 3.34Å; G44-F46 PolarHBondContact O-N 3.27Å; F46-Q49 PolarHBondContact O-N 2.98Å; F46-K50 HydrophobicContact CE1-CG 4.16Å; F46-K50 HydrophobicContact CZ-CG 4.32Å; F46-K50 WeakPolarHBondContact O-CB 3.46Å; F46-K50 PolarHBondContact O-N 2.93Å
47A83.2Confident77.6Confident58 Ų5886.5 Ų86.548%0.47948%0.479SS..Hα-helixtrans-63.7-43.5176.200000112.1T43 G44 K50 A51T43-A47 WeakPolarHBondContact O-CB 3.37Å; T43-A47 PolarHBondContact O-N 2.87Å; G44-A47 PolarHBondContact O-N 3.39Å; A47-K50 PolarHBondContact O-N 2.96Å; A47-A51 PolarHBondContact O-N 2.94Å
48I82.2Confident76.7Confident106 Ų10691.6 Ų91.654%0.54449%0.494SS..Hα-helixtrans-64.2-44176.4-67.4165.4000110.7G44 F45 K50 A51 L52G44-I48 VanDerWaalsContact O-CG1 3.3Å; G44-I48 WeakPolarHBondContact O-CG1 3.31Å; G44-I48 PolarHBondContact O-N 2.89Å; F45-I48 PolarHBondContact O-N 2.88Å; I48-K50 VanDerWaalsContact C-N 3.31Å; I48-K50 PolarHBondContact O-N 3.37Å; I48-A51 PolarHBondContact O-N 3.18Å; I48-L52 HydrophobicContact CG2-CD1 4.49Å; I48-L52 PolarHBondContact O-N 3.42Å
49Q75.3Confident76.2Confident21 Ų2191.7 Ų91.710%0.09850%0.503CS..Hα-helixtrans-61.5-39.2176.2-75177.6-7.700112F45 F46 L52 Q53 N63F45-Q49 HydrophobicContact CD1-CG 4.5Å; F45-Q49 WeakPolarHBondContact O-CB 3.29Å; F45-Q49 WeakPolarHBondContact O-CG 3.43Å; F45-Q49 PolarHBondContact O-N 3.49Å; F46-Q49 PolarHBondContact O-N 2.98Å; Q49-L52 PolarHBondContact O-N 2.9Å; Q49-Q53 WeakPolarHBondContact O-CG 3.09Å; Q49-Q53 PolarHBondContact O-N 3.12Å; Q49-N63 HydrophobicContact CG-CB 4.41Å; Q49-N63 PolarHBondContact NE2-O 3.18Å; Q49-N63 PolarHBondContact OE1-O 3.41Å
50K76.6Confident75.3Confident111 Ų11193.5 Ų93.548%0.48351%0.505SS..Hα-helixtrans-65.3-39.5174.1-93.7-74.9-173.2164.80113F46 A47 I48 Q53F46-K50 HydrophobicContact CE1-CG 4.16Å; F46-K50 HydrophobicContact CZ-CG 4.32Å; F46-K50 WeakPolarHBondContact O-CB 3.46Å; F46-K50 PolarHBondContact O-N 2.93Å; A47-K50 PolarHBondContact O-N 2.96Å; I48-K50 VanDerWaalsContact C-N 3.31Å; I48-K50 PolarHBondContact O-N 3.37Å; K50-Q53 PolarHBondContact O-N 3.22Å
51A80.9Confident74.7Confident62 Ų6295.4 Ų95.451%0.51251%0.51SS..Hα-helixtrans-67.6-39.9175.400000112A47 I48 Q53 V54A47-A51 PolarHBondContact O-N 2.94Å; I48-A51 PolarHBondContact O-N 3.18Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 2.72Å; A51-V54 WeakPolarHBondContact O-CB 3.36Å; A51-V54 PolarHBondContact O-N 3.44Å
52L74.9Confident74.4Confident109 Ų109101.1 Ų101.157%0.57152%0.523SS*.Hα-helixtrans-65.7-34.7176.1-115.276.7000112.7I48 Q49 V54 R55 L56I48-L52 HydrophobicContact CG2-CD1 4.49Å; I48-L52 PolarHBondContact O-N 3.42Å; Q49-L52 PolarHBondContact O-N 2.9Å; L52-V54 PolarHBondContact O-N 2.77Å; L52-R55 PolarHBondContact O-N 3.42Å; L52-L56 PolarHBondContact O-N 3.14Å
53Q68.2Low74Confident49 Ų49100.5 Ų100.523%0.22952%0.518CS..Hα-helixtrans-61.8-23176-81.8175.75.300113.7Q49 K50 A51 R55Q49-Q53 WeakPolarHBondContact O-CG 3.09Å; Q49-Q53 PolarHBondContact O-N 3.12Å; K50-Q53 PolarHBondContact O-N 3.22Å; A51-Q53 VanDerWaalsContact C-N 3.34Å; A51-Q53 PolarHBondContact O-N 2.72Å; Q53-R55 PolarHBondContact O-N 2.78Å
54V72.4Confident73.5Confident125 Ų12598.6 Ų98.676%0.75851%0.506SS*.THydrogen-bonded Turntrans-66.3-26174.4179.80000111.4A51 L52A51-V54 WeakPolarHBondContact O-CB 3.36Å; A51-V54 PolarHBondContact O-N 3.44Å; L52-V54 PolarHBondContact O-N 2.77Å
55R68.3Low73.4Confident224 Ų224101.3 Ų101.385%0.84551%0.513SS*.THydrogen-bonded Turntrans-107.5-29-176.3-81-72.6-168.3150.30.7114.4L52 Q53L52-R55 PolarHBondContact O-N 3.42Å; Q53-R55 PolarHBondContact O-N 2.78Å
56L65Low73.4Confident111 Ų111100.8 Ų100.858%0.58151%0.513SS*.SBendtrans-134.3110.9-176.8-75.9161.6000109.8L52 Y58L52-L56 PolarHBondContact O-N 3.14Å; L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-Y58 PolarHBondContact O-N 2.81Å
57P63.3Low73.3Confident131 Ų13196.2 Ų96.285%0.85149%0.493SS*.  trans-73.885.8178.528.9-32.6000110.5
58Y61.2Low73.2Confident158 Ų15897.9 Ų97.962%0.6249%0.493SS*.  trans-102.9144.1174.3-124.9-101.6000110.5L56 L60L56-Y58 VanDerWaalsContact C-N 3.34Å; L56-Y58 PolarHBondContact O-N 2.81Å; Y58-L60 PolarHBondContact O-N 3.09Å
59P67.6Low73.4Confident83 Ų8396.3 Ų96.354%0.53949%0.489SS..  trans-59.2126.6-176.622.5-33.9000112.3Q61 W62P59-Q61 PolarHBondContact O-N 2.86Å; P59-W62 PolarHBondContact O-N 2.88Å
60L65.1Low73.9Confident89 Ų8996.7 Ų96.747%0.46650%0.496SS..Hα-helixtrans-63.1-28.8-170.5-151.4139.1000113.1Y58 W62 N63 V64Y58-L60 PolarHBondContact O-N 3.09Å; L60-W62 VanDerWaalsContact C-N 3.35Å; L60-W62 PolarHBondContact O-N 3.21Å; L60-N63 PolarHBondContact O-N 3.07Å; L60-V64 HydrophobicContact CD2-CG2 4.09Å; L60-V64 WeakPolarHBondContact O-CG2 3.13Å; L60-V64 PolarHBondContact O-N 3.45Å
61Q73.3Confident74Confident173 Ų17391.7 Ų91.781%0.80848%0.475SS*.Hα-helixtrans-63.3-37.4-179.9-64.8-174.8-47.300113P59 L65P59-Q61 PolarHBondContact O-N 2.86Å; Q61-L65 PolarHBondContact O-N 3.03Å
62W75.4Confident74Confident149 Ų14991.9 Ų91.956%0.56447%0.472SS*.Hα-helixtrans-78-32.3-176.1-144.8-153.7000112.6P59 L60 L65 I66P59-W62 PolarHBondContact O-N 2.88Å; L60-W62 VanDerWaalsContact C-N 3.35Å; L60-W62 PolarHBondContact O-N 3.21Å; W62-L65 HydrophobicContact CE3-CB 3.91Å; W62-L65 HydrophobicContact CE3-CD1 4.25Å; W62-L65 HydrophobicContact CE3-CD2 4.36Å; W62-L65 HydrophobicContact CE3-CG 4.38Å; W62-L65 HydrophobicContact CH2-CD2 4.34Å; W62-L65 HydrophobicContact CZ3-CB 4.06Å; W62-L65 HydrophobicContact CZ3-CD1 3.85Å; W62-L65 HydrophobicContact CZ3-CD2 3.66Å; W62-L65 HydrophobicContact CZ3-CG 4.04Å; W62-L65 PolarHBondContact O-N 2.95Å; W62-I66 HydrophobicContact CD2-CD1 4.5Å; W62-I66 HydrophobicContact CG-CD1 4.29Å; W62-I66 WeakPolarHBondContact O-CB 3.47Å; W62-I66 WeakPolarHBondContact O-CD1 3.04Å; W62-I66 WeakPolarHBondContact O-CG1 3.28Å; W62-I66 PolarHBondContact O-N 3.49Å
63N72.4Confident74.6Confident32 Ų3293.9 Ų93.917%0.17148%0.476CS..Hα-helixtrans-64.4-45173.9-71.5-43.8000112.1Q49 L60 L65 I66 S67Q49-N63 HydrophobicContact CG-CB 4.41Å; Q49-N63 PolarHBondContact NE2-O 3.18Å; Q49-N63 PolarHBondContact OE1-O 3.41Å; L60-N63 PolarHBondContact O-N 3.07Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 2.9Å; N63-I66 PolarHBondContact O-N 2.99Å; N63-S67 WeakPolarHBondContact O-CB 3.4Å; N63-S67 PolarHBondContact O-N 3.49Å
64V74.3Confident75.2Confident54 Ų5495.7 Ų95.733%0.32749%0.493SS..Hα-helixtrans-63.6-43179.1174.70000110.8L60 S67 I68L60-V64 HydrophobicContact CD2-CG2 4.09Å; L60-V64 WeakPolarHBondContact O-CG2 3.13Å; L60-V64 PolarHBondContact O-N 3.45Å; V64-S67 WeakPolarHBondContact O-CB 3.41Å; V64-S67 PolarHBondContact O-N 3.29Å; V64-I68 HydrophobicContact CG1-CD1 3.79Å; V64-I68 VanDerWaalsContact O-CG1 3.31Å; V64-I68 WeakPolarHBondContact O-CG1 3.47Å; V64-I68 PolarHBondContact O-N 3.45Å
65L82.8Confident75.4Confident90 Ų9090.4 Ų90.447%0.47146%0.462SS..Hα-helixtrans-66.7-43.8-178.8-151.2146.7000111.4Q61 W62 N63 S67 I68 V69Q61-L65 PolarHBondContact O-N 3.03Å; W62-L65 HydrophobicContact CE3-CB 3.91Å; W62-L65 HydrophobicContact CE3-CD1 4.25Å; W62-L65 HydrophobicContact CE3-CD2 4.36Å; W62-L65 HydrophobicContact CE3-CG 4.38Å; W62-L65 HydrophobicContact CH2-CD2 4.34Å; W62-L65 HydrophobicContact CZ3-CB 4.06Å; W62-L65 HydrophobicContact CZ3-CD1 3.85Å; W62-L65 HydrophobicContact CZ3-CD2 3.66Å; W62-L65 HydrophobicContact CZ3-CG 4.04Å; W62-L65 PolarHBondContact O-N 2.95Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-L65 PolarHBondContact O-N 2.9Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-S67 PolarHBondContact O-N 3.5Å; L65-I68 PolarHBondContact O-N 3.09Å; L65-V69 HydrophobicContact CD2-CG2 4.07Å; L65-V69 VanDerWaalsContact O-CG2 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 2.93Å
66I80.3Confident75.9Confident80 Ų8086.5 Ų86.541%0.4145%0.448SS..Hα-helixtrans-64.9-38.6175.4-65.9166.2000111.2W62 N63 A70W62-I66 HydrophobicContact CD2-CD1 4.5Å; W62-I66 HydrophobicContact CG-CD1 4.29Å; W62-I66 WeakPolarHBondContact O-CB 3.47Å; W62-I66 WeakPolarHBondContact O-CD1 3.04Å; W62-I66 WeakPolarHBondContact O-CG1 3.28Å; W62-I66 PolarHBondContact O-N 3.49Å; N63-I66 PolarHBondContact O-N 2.99Å; I66-A70 WeakPolarHBondContact O-CB 3.43Å; I66-A70 PolarHBondContact O-N 3.48Å
67S77.6Confident76.7Confident5 Ų584 Ų844%0.03544%0.443CS..Hα-helixtrans-60.2-47.8176.3-178.90000112N63 V64 L65 S71N63-S67 WeakPolarHBondContact O-CB 3.4Å; N63-S67 PolarHBondContact O-N 3.49Å; V64-S67 WeakPolarHBondContact O-CB 3.41Å; V64-S67 PolarHBondContact O-N 3.29Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-S67 PolarHBondContact O-N 3.5Å; S67-S71 WeakPolarHBondContact O-CB 3.36Å; S67-S71 PolarHBondContact O-N 3Å
68I80.3Confident77.4Confident93 Ų9379.6 Ų79.648%0.47741%0.414SS..Hα-helixtrans-66.1-46.5-178.7-67.6167000110.5V64 L65 S71 S72V64-I68 HydrophobicContact CG1-CD1 3.79Å; V64-I68 VanDerWaalsContact O-CG1 3.31Å; V64-I68 WeakPolarHBondContact O-CG1 3.47Å; V64-I68 PolarHBondContact O-N 3.45Å; L65-I68 PolarHBondContact O-N 3.09Å; I68-S71 PolarHBondContact O-N 2.94Å; I68-S72 VanDerWaalsContact O-CB 3.26Å; I68-S72 WeakPolarHBondContact O-CB 3.49Å; I68-S72 PolarHBondContact O-N 2.88Å
69V87.2Confident77.9Confident74 Ų7473.4 Ų73.445%0.44839%0.393SS..Hα-helixtrans-64.1-47.2179.5173.30000110.7L65 S72 F73L65-V69 HydrophobicContact CD2-CG2 4.07Å; L65-V69 VanDerWaalsContact O-CG2 3.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.31Å; L65-V69 PolarHBondContact O-N 2.93Å; V69-S72 PolarHBondContact O-N 2.63Å; V69-F73 HydrophobicContact CG1-CD2 4.28Å; V69-F73 PolarHBondContact O-N 3.46Å
70A84.3Confident78.2Confident29 Ų2975.7 Ų75.724%0.2439%0.391CS..Hα-helixtrans-62.9-44.9178.200000111.6I66 S72 F73 C74I66-A70 WeakPolarHBondContact O-CB 3.43Å; I66-A70 PolarHBondContact O-N 3.48Å; A70-S72 VanDerWaalsContact C-N 3.33Å; A70-S72 PolarHBondContact O-N 2.85Å; A70-F73 PolarHBondContact O-N 3.4Å; A70-C74 WeakPolarHBondContact O-CB 3.47Å; A70-C74 PolarHBondContact O-N 3.21Å; A70-C74 PolarHBondContact O-SG 3.41Å; A70-C74 VanDerWaalsContact O-SG 3.34Å
71S78.4Confident78.8Confident6 Ų679.5 Ų79.54%0.04240%0.399CS..Hα-helixtrans-64.9-37.1177.4-167.70000112.1F38 V42 S67 I68 S75F38-S71 WeakPolarHBondContact CD2-OG 3.39Å; V42-S71 VanDerWaalsContact CG2-OG 3.28Å; V42-S71 WeakPolarHBondContact CG2-OG 3.41Å; S67-S71 WeakPolarHBondContact O-CB 3.36Å; S67-S71 PolarHBondContact O-N 3Å; I68-S71 PolarHBondContact O-N 2.94Å; S71-S75 VanDerWaalsContact O-CB 3.26Å; S71-S75 WeakPolarHBondContact O-CB 3.43Å; S71-S75 PolarHBondContact O-N 3.42Å; S71-S75 PolarHBondContact O-OG 3.15Å; S71-S75 VanDerWaalsContact O-OG 3.12Å
72S82.4Confident78.8Confident65 Ų6572.7 Ų72.746%0.45537%0.367SS..Hα-helixtrans-64.6-46.6177-176.40000111.4I68 V69 A70 S75 Y76I68-S72 VanDerWaalsContact O-CB 3.26Å; I68-S72 WeakPolarHBondContact O-CB 3.49Å; I68-S72 PolarHBondContact O-N 2.88Å; V69-S72 PolarHBondContact O-N 2.63Å; A70-S72 VanDerWaalsContact C-N 3.33Å; A70-S72 PolarHBondContact O-N 2.85Å; S72-S75 PolarHBondContact O-N 3.34Å; S72-Y76 WeakPolarHBondContact O-CB 3.31Å; S72-Y76 PolarHBondContact O-N 2.88Å
73F87.4Confident78.6Confident152 Ų15267.7 Ų67.767%0.66735%0.353SS*.Hα-helixtrans-62.4-46.4175.7-100.4-88.3000112.3V69 A70 S75 Y76 A77V69-F73 HydrophobicContact CG1-CD2 4.28Å; V69-F73 PolarHBondContact O-N 3.46Å; A70-F73 PolarHBondContact O-N 3.4Å; F73-S75 VanDerWaalsContact C-N 3.34Å; F73-S75 PolarHBondContact O-N 2Å; F73-Y76 PolarHBondContact O-N 3.08Å; F73-A77 WeakPolarHBondContact O-CB 3.15Å; F73-A77 PolarHBondContact O-N 2.94Å
74C79.9Confident78.5Confident86 Ų8669.9 Ų69.958%0.58136%0.363SS*.Hα-helixtrans-60.1-44176.8-76.30000111.8A70 A77 V78A70-C74 WeakPolarHBondContact O-CB 3.47Å; A70-C74 PolarHBondContact O-N 3.21Å; A70-C74 PolarHBondContact O-SG 3.41Å; A70-C74 VanDerWaalsContact O-SG 3.34Å; C74-A77 PolarHBondContact O-N 2.9Å; C74-V78 PolarHBondContact O-N 3.2Å
75S76.7Confident78.4Confident15 Ų1571.9 Ų71.911%0.10537%0.367CS..Hα-helixtrans-68.5-38.2178-71.20000112.9F38 S71 S72 F73 A77 V78 T79F38-S75 WeakPolarHBondContact CA-OG 3.49Å; F38-S75 WeakPolarHBondContact CB-OG 2.94Å; F38-S75 WeakPolarHBondContact CD2-OG 3.28Å; S71-S75 VanDerWaalsContact O-CB 3.26Å; S71-S75 WeakPolarHBondContact O-CB 3.43Å; S71-S75 PolarHBondContact O-N 3.42Å; S71-S75 PolarHBondContact O-OG 3.15Å; S71-S75 VanDerWaalsContact O-OG 3.12Å; S72-S75 PolarHBondContact O-N 3.34Å; F73-S75 VanDerWaalsContact C-N 3.34Å; F73-S75 PolarHBondContact O-N 2Å; S75-A77 VanDerWaalsContact C-N 3.35Å; S75-A77 PolarHBondContact O-N 3.05Å; S75-V78 WeakPolarHBondContact O-CG1 3.49Å; S75-T79 VanDerWaalsContact O-CB 3.29Å; S75-T79 WeakPolarHBondContact O-CB 3.43Å; S75-T79 PolarHBondContact O-N 3.11Å; S75-T79 PolarHBondContact O-OG1 3.5Å
76Y79.4Confident77.7Confident141 Ų14168.1 Ų68.155%0.55335%0.348SS*.Hα-helixtrans-63-43.3173.3-176-100.7000111.7S72 F73 T79 R80S72-Y76 WeakPolarHBondContact O-CB 3.31Å; S72-Y76 PolarHBondContact O-N 2.88Å; F73-Y76 PolarHBondContact O-N 3.08Å; Y76-T79 PolarHBondContact O-N 3.38Å; Y76-R80 HydrophobicContact CD1-CG 4.25Å; Y76-R80 HydrophobicContact CE1-CG 3.73Å; Y76-R80 HydrophobicContact CE2-CG 4.36Å; Y76-R80 WeakPolarHBondContact O-CB 3.44Å; Y76-R80 PolarHBondContact O-N 3.33Å; Y76-R80 PolarHBondContact OH-NE 2.83Å
77A81.1Confident77.1Confident58 Ų5866.8 Ų66.848%0.47935%0.346SS..Hα-helixtrans-64.8-46.1179.700000112.3F73 C74 S75 R80 W81F73-A77 WeakPolarHBondContact O-CB 3.15Å; F73-A77 PolarHBondContact O-N 2.94Å; C74-A77 PolarHBondContact O-N 2.9Å; S75-A77 VanDerWaalsContact C-N 3.35Å; S75-A77 PolarHBondContact O-N 3.05Å; A77-R80 PolarHBondContact O-N 3.17Å; A77-W81 WeakPolarHBondContact O-CB 3.35Å; A77-W81 PolarHBondContact O-N 3.27Å
78V77.8Confident76.6Confident39 Ų3969.2 Ų69.224%0.23636%0.358CS..Hα-helixtrans-66.7-40.1178.475.60000111.4C74 S75 W81 E82C74-V78 PolarHBondContact O-N 3.2Å; S75-V78 WeakPolarHBondContact O-CG1 3.49Å; V78-W81 PolarHBondContact O-N 3.37Å; V78-E82 HydrophobicContact CG2-CG 4.49Å; V78-E82 WeakPolarHBondContact O-CG 3.42Å; V78-E82 PolarHBondContact O-N 3.38Å
79T73.2Confident75.9Confident29 Ų2970.1 Ų70.118%0.17836%0.364CS..Hα-helixtrans-62.5-47.7174.9-64.60000110.5G34 S75 Y76 W81 E82 T83G34-T79 WeakPolarHBondContact CA-OG1 3.32Å; S75-T79 VanDerWaalsContact O-CB 3.29Å; S75-T79 WeakPolarHBondContact O-CB 3.43Å; S75-T79 PolarHBondContact O-N 3.11Å; S75-T79 PolarHBondContact O-OG1 3.5Å; Y76-T79 PolarHBondContact O-N 3.38Å; T79-W81 VanDerWaalsContact C-N 3.27Å; T79-W81 PolarHBondContact O-N 3.24Å; T79-E82 PolarHBondContact O-N 2.88Å; T79-T83 VanDerWaalsContact O-CB 3.31Å; T79-T83 WeakPolarHBondContact O-CB 3.03Å; T79-T83 PolarHBondContact O-N 2.97Å; T79-T83 PolarHBondContact O-OG1 2.78Å
80R73.7Confident75Confident130 Ų13070.1 Ų70.149%0.49136%0.355SS..Hα-helixtrans-56.6-41.4175.3-93.1-67.7-151.5107.2-0.4112.3Y76 A77 Q84Y76-R80 HydrophobicContact CD1-CG 4.25Å; Y76-R80 HydrophobicContact CE1-CG 3.73Å; Y76-R80 HydrophobicContact CE2-CG 4.36Å; Y76-R80 WeakPolarHBondContact O-CB 3.44Å; Y76-R80 PolarHBondContact O-N 3.33Å; Y76-R80 PolarHBondContact OH-NE 2.83Å; A77-R80 PolarHBondContact O-N 3.17Å; R80-Q84 WeakPolarHBondContact O-CG 3.19Å; R80-Q84 PolarHBondContact O-N 3.13Å
81W77.6Confident74Confident170 Ų17071.9 Ų71.964%0.64436%0.36SS*.Hα-helixtrans-70.1-46.1-178.4-170.111.4000112.3A77 V78 T79 Q84 K85A77-W81 WeakPolarHBondContact O-CB 3.35Å; A77-W81 PolarHBondContact O-N 3.27Å; V78-W81 PolarHBondContact O-N 3.37Å; T79-W81 VanDerWaalsContact C-N 3.27Å; T79-W81 PolarHBondContact O-N 3.24Å; W81-Q84 PolarHBondContact O-N 3.32Å; W81-K85 PolarHBondContact O-N 3.1Å; W81-K85 VanDerWaalsContact O-N 3.12Å
82E73.8Confident73.2Confident30 Ų3074.2 Ų74.214%0.1437%0.372CS..Hα-helixtrans-65.5-39.3176.8-68.8-67.7176.300111.7A30 K33 V78 T79 Q84 K85 C86A30-E82 HydrophobicContact CB-CB 4.13Å; K33-E82 HydrophobicContact CD-CG 4.18Å; K33-E82 WeakPolarHBondContact CE-OE1 3.09Å; K33-E82 IonicContact NZ-OE1 3.99Å; K33-E82 PolarHBondContact NZ-OE1 3.49Å; K33-E82 IonicContact NZ-OE2 3.03Å; V78-E82 HydrophobicContact CG2-CG 4.49Å; V78-E82 WeakPolarHBondContact O-CG 3.42Å; V78-E82 PolarHBondContact O-N 3.38Å; T79-E82 PolarHBondContact O-N 2.88Å; E82-Q84 VanDerWaalsContact C-N 3.29Å; E82-Q84 PolarHBondContact O-N 3.47Å; E82-K85 PolarHBondContact O-N 3.03Å; E82-K85 IonicContact OE1-NZ 3.94Å; E82-C86 PolarHBondContact O-N 3.03Å; E82-C86 VanDerWaalsContact O-N 3.08Å; E82-C86 PolarHBondContact O-SG 3.05Å
83T70.6Confident72.2Confident44 Ų4476.4 Ų76.427%0.2738%0.378SS..Hα-helixtrans-62-36.8173.3-59.70000111.9T79 C86 S87T79-T83 VanDerWaalsContact O-CB 3.31Å; T79-T83 WeakPolarHBondContact O-CB 3.03Å; T79-T83 PolarHBondContact O-N 2.97Å; T79-T83 PolarHBondContact O-OG1 2.78Å; T83-C86 WeakPolarHBondContact O-CB 3.38Å; T83-C86 PolarHBondContact O-N 2.91Å; T83-S87 PolarHBondContact O-N 3.07Å; T83-S87 VanDerWaalsContact O-N 3.07Å
84Q70.4Confident71.1Confident78 Ų7873 Ų7336%0.36436%0.364SS..Hα-helixtrans-66.3-39.8175.1-78.8-161.85.600112.6R80 W81 E82 C86 S87 D88R80-Q84 WeakPolarHBondContact O-CG 3.19Å; R80-Q84 PolarHBondContact O-N 3.13Å; W81-Q84 PolarHBondContact O-N 3.32Å; E82-Q84 VanDerWaalsContact C-N 3.29Å; E82-Q84 PolarHBondContact O-N 3.47Å; Q84-C86 VanDerWaalsContact C-N 3.32Å; Q84-C86 PolarHBondContact O-N 2.93Å; Q84-S87 PolarHBondContact O-N 3.16Å; Q84-D88 PolarHBondContact O-N 3.32Å
85K71.3Confident70.2Confident96 Ų9673.2 Ų73.242%0.41736%0.363SS..Hα-helixtrans-61.4-40.7175-66.8177-171.9168.20112.2W81 E82 S87 D88 L89W81-K85 PolarHBondContact O-N 3.1Å; W81-K85 VanDerWaalsContact O-N 3.12Å; E82-K85 PolarHBondContact O-N 3.03Å; E82-K85 IonicContact OE1-NZ 3.94Å; K85-S87 VanDerWaalsContact C-N 3.34Å; K85-D88 PolarHBondContact O-N 3Å; K85-L89 PolarHBondContact O-N 3.26Å
86C69Low69.2Low10 Ų1075.7 Ų75.77%0.06839%0.391CS..Hα-helixtrans-61.4-42.3174.7-70.80000112.6C26 E82 T83 Q84 D88 W90C26-C86 VanDerWaalsContact C-SG 3.54Å; C26-C86 HydrophobicContact CB-CB 3.56Å; C26-C86 WeakPolarHBondContact CB-SG 3.36Å; C26-C86 PolarHBondContact O-SG 2.86Å; C26-C86 VanDerWaalsContact O-SG 3.33Å; C26-C86 WeakPolarHBondContact SG-CA 3.29Å; C26-C86 WeakPolarHBondContact SG-CB 3.44Å; C26-C86 CovalentContact SG-SG 2Å; C26-C86 PolarHBondContact SG-SG 3.38Å; E82-C86 PolarHBondContact O-N 3.03Å; E82-C86 VanDerWaalsContact O-N 3.08Å; E82-C86 PolarHBondContact O-SG 3.05Å; T83-C86 WeakPolarHBondContact O-CB 3.38Å; T83-C86 PolarHBondContact O-N 2.91Å; Q84-C86 VanDerWaalsContact C-N 3.32Å; Q84-C86 PolarHBondContact O-N 2.93Å; C86-D88 VanDerWaalsContact C-N 3.34Å; C86-W90 PolarHBondContact O-N 3.04Å
87S67.6Low67.9Low53 Ų5376.7 Ų76.737%0.37140%0.398SS..Hα-helixtrans-67.5-35.4179.7-1700000112.4T83 Q84 K85 L91T83-S87 PolarHBondContact O-N 3.07Å; T83-S87 VanDerWaalsContact O-N 3.07Å; Q84-S87 PolarHBondContact O-N 3.16Å; K85-S87 VanDerWaalsContact C-N 3.34Å; S87-L91 WeakPolarHBondContact O-CB 3.38Å; S87-L91 PolarHBondContact O-N 3.37Å
88D66.1Low66.2Low56 Ų5678.7 Ų78.730%0.29941%0.405SS..Hα-helixtrans-66.7-45.7178.1-117.42.1000111.5Q84 K85 C86 W90 L91 L92 P99Q84-D88 PolarHBondContact O-N 3.32Å; K85-D88 PolarHBondContact O-N 3Å; C86-D88 VanDerWaalsContact C-N 3.34Å; D88-W90 VanDerWaalsContact C-N 3.28Å; D88-W90 PolarHBondContact O-N 3.23Å; D88-L91 PolarHBondContact O-N 2.91Å; D88-L92 WeakPolarHBondContact O-CB 3.47Å; D88-L92 WeakPolarHBondContact O-CD1 3.38Å; D88-L92 PolarHBondContact O-N 3.1Å; D88-P99 WeakPolarHBondContact OD1-CB 3.3Å; D88-P99 VanDerWaalsContact OD1-CD 3.28Å; D88-P99 WeakPolarHBondContact OD1-CD 3.41Å; D88-P99 WeakPolarHBondContact OD1-CG 3.35Å
89L66.4Low64.7Low112 Ų11278.9 Ų78.959%0.58641%0.407SS*.Hα-helixtrans-62.9-39.1179.2-142.685000111.4K85 L92 L93K85-L89 PolarHBondContact O-N 3.26Å; L89-L92 WeakPolarHBondContact O-CB 3.43Å; L89-L92 PolarHBondContact O-N 3.23Å; L89-L93 WeakPolarHBondContact O-CD1 3.2Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.45Å; L89-L93 VanDerWaalsContact O-N 3.1Å
90W67.4Low63.4Low73 Ų7383.9 Ų83.928%0.27743%0.432SS..Hα-helixtrans-62.1-48.3174179.872.1000111.8G19 C86 D88 L92 L93 E94G19-W90 VanDerWaalsContact CA-NE1 3.31Å; G19-W90 PolarHBondContact O-NE1 2.85Å; C86-W90 PolarHBondContact O-N 3.04Å; D88-W90 VanDerWaalsContact C-N 3.28Å; D88-W90 PolarHBondContact O-N 3.23Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 2.78Å; W90-L93 PolarHBondContact O-N 3.36Å; W90-E94 PolarHBondContact O-N 3.05Å; W90-E94 VanDerWaalsContact O-N 3.11Å
91L63.5Low62.4Low66 Ų6686.8 Ų86.835%0.34644%0.443SS..Hα-helixtrans-63.8-37.2179.7-156.2112.6000111.5S87 D88 E94 T95 P99S87-L91 WeakPolarHBondContact O-CB 3.38Å; S87-L91 PolarHBondContact O-N 3.37Å; D88-L91 PolarHBondContact O-N 2.91Å; L91-E94 PolarHBondContact O-N 3.5Å; L91-T95 PolarHBondContact O-N 3.02Å; L91-T95 PolarHBondContact O-OG1 3.31Å; L91-P99 HydrophobicContact CD2-CG 3.41Å; L91-P99 VanDerWaalsContact CD2-CG 3.41Å
92L62.6Low60.8Low55 Ų5582.6 Ų82.629%0.28844%0.44SS..Hα-helixtrans-60.4-41.6174-95.4152.9000113.4D88 L89 W90 G96 V98D88-L92 WeakPolarHBondContact O-CB 3.47Å; D88-L92 WeakPolarHBondContact O-CD1 3.38Å; D88-L92 PolarHBondContact O-N 3.1Å; L89-L92 WeakPolarHBondContact O-CB 3.43Å; L89-L92 PolarHBondContact O-N 3.23Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 2.78Å; L92-G96 WeakPolarHBondContact O-CA 3.34Å; L92-G96 PolarHBondContact O-N 3.28Å; L92-V98 HydrophobicContact CD1-CG2 4.48Å; L92-V98 HydrophobicContact CD2-CB 4.19Å; L92-V98 HydrophobicContact CD2-CG2 3.59Å; L92-V98 HydrophobicContact CG-CG2 4.46Å
93L61.9Low59Low112 Ų11286.5 Ų86.559%0.58647%0.468SS*.Hα-helixtrans-70.7-34.2178-74.7156.5000112L89 W90L89-L93 WeakPolarHBondContact O-CD1 3.2Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 3.45Å; L89-L93 VanDerWaalsContact O-N 3.1Å; W90-L93 PolarHBondContact O-N 3.36Å
94E63.2Low57.5Low80 Ų8090.4 Ų90.437%0.37449%0.494SS..Hα-helixtrans-84-37.9-178-158.179.4-167.900112.8H17 W90 L91H17-E94 IonicContact CE1-OE1 2.72Å; H17-E94 IonicContact ND1-OE1 3.69Å; H17-E94 PolarHBondContact ND1-OE1 3.42Å; W90-E94 PolarHBondContact O-N 3.05Å; W90-E94 VanDerWaalsContact O-N 3.11Å; L91-E94 PolarHBondContact O-N 3.5Å
95T61.4Low55.8Low90 Ų9091.9 Ų91.955%0.55251%0.51SS*.Hα-helixtrans-110.3-8.9-175.4510000114.9L91 K97L91-T95 PolarHBondContact O-N 3.02Å; L91-T95 PolarHBondContact O-OG1 3.31Å; T95-K97 PolarHBondContact O-N 2.89Å; T95-K97 VanDerWaalsContact O-N 3.15Å
96G56Low54.1Low68 Ų6893.1 Ų93.170%0.70153%0.528SS*.SBendtrans64.812.4-177.900000114.4L92L92-G96 WeakPolarHBondContact O-CA 3.34Å; L92-G96 PolarHBondContact O-N 3.28Å
97K51.7Low52.9Low161 Ų16199.1 Ų99.170%0.757%0.565SS**  trans-127126.9-172.4-149.2177.1-179.282.20109.9T95 P99T95-K97 PolarHBondContact O-N 2.89Å; T95-K97 VanDerWaalsContact O-N 3.15Å; K97-P99 WeakPolarHBondContact O-CD 3.16Å
98V44.8Very low51.1Low101 Ų101103.2 Ų103.261%0.61259%0.587SS**  trans-71126.4176.2-174.30000108.7L92 D100L92-V98 HydrophobicContact CD1-CG2 4.48Å; L92-V98 HydrophobicContact CD2-CB 4.19Å; L92-V98 HydrophobicContact CD2-CG2 3.59Å; L92-V98 HydrophobicContact CG-CG2 4.46Å; V98-D100 PolarHBondContact O-N 3.33Å
99P47.5Very low49.4Very low42 Ų42105.5 Ų105.527%0.27361%0.608SS.*  trans-72.5105.9164.7-18.737000107.7D88 L91 K97 R101D88-P99 WeakPolarHBondContact OD1-CB 3.3Å; D88-P99 VanDerWaalsContact OD1-CD 3.28Å; D88-P99 WeakPolarHBondContact OD1-CD 3.41Å; D88-P99 WeakPolarHBondContact OD1-CG 3.35Å; L91-P99 HydrophobicContact CD2-CG 3.41Å; L91-P99 VanDerWaalsContact CD2-CG 3.41Å; K97-P99 WeakPolarHBondContact O-CD 3.16Å; P99-R101 PolarHBondContact O-N 3.01Å
100D44Very low47.7Very low134 Ų134108.2 Ų108.272%0.71762%0.617SS**  trans-68.5108.6171.3-156.5-58000108V98 S102V98-D100 PolarHBondContact O-N 3.33Å; D100-S102 PolarHBondContact OD1-N 2.98Å; D100-S102 PolarHBondContact OD1-OG 3.18Å
101R52.9Low46.3Very low192 Ų192109.6 Ų109.673%0.72564%0.635SS**  trans-116.854.3173.9-143.3176.6-168.2153.86.5109.9P99P99-R101 PolarHBondContact O-N 3.01Å
102S44.4Very low44.7Very low81 Ų81114.3 Ų114.357%0.56666%0.656SS**PPolyproline II helixtrans-53.9139.8154.8-64.40000109.5D100D100-S102 PolarHBondContact OD1-N 2.98Å; D100-S102 PolarHBondContact OD1-OG 3.18Å
103P36.7Very low43.1Very low113 Ų113119.4 Ų119.473%0.73468%0.683SS**PPolyproline II helixtrans-57.7143.6176.526-32.3000109P105P103-P105 VanDerWaalsContact O-CD 3.23Å; P103-P105 WeakPolarHBondContact O-CD 3.44Å; P103-P105 VanDerWaalsContact O-N 3.15Å
104P38.4Very low42.1Very low125 Ų125119.1 Ų119.181%0.81269%0.688SS**PPolyproline II helixtrans-60.9120.7-169.224.4-33000110.6
105P35.2Very low40.8Very low109 Ų109125.6 Ų125.671%0.70872%0.715SS**PPolyproline II helixtrans-73.9152.715924.5-16.4000109.2P103P103-P105 VanDerWaalsContact O-CD 3.23Å; P103-P105 WeakPolarHBondContact O-CD 3.44Å; P103-P105 VanDerWaalsContact O-N 3.15Å
106P35.2Very low39.5Very low122 Ų122126.1 Ų126.179%0.79273%0.728SS**PPolyproline II helixtrans-68.4144.3-166.528.9-33.8000112.4
107T42.9Very low38.7Very low137 Ų137127.6 Ų127.684%0.8473%0.734SS**  trans-4.9116.6165.6-45.10000117.5
108V30Very low38.3Very low139 Ų139129.4 Ų129.484%0.84275%0.745SS**  trans-144.1134.5148.1-168.50000110.7
109S32.2Very low38Very low104 Ų104132.2 Ų132.273%0.72775%0.749SS**  trans-64.7142.5-174.839.70000118.3
110H30.6Very low38.4Very low168 Ų168133.8 Ų133.878%0.77876%0.758SS**  trans29.3157.1146-105.6-101.5000121.5
111P37.6Very low38.8Very low103 Ų103136.6 Ų136.667%0.66976%0.764SS**  cis-142.9169.717.836-12000118.9
112E29.8Very low38.6Very low165 Ų165136.9 Ų136.977%0.77177%0.766SS**  trans21.2133.5150.2-68.5161.8101.800123.4
113D28.4Very low38.9Very low162 Ų162135.2 Ų135.287%0.86676%0.761SS**  -168.6146.8113.1-114.7-57.4000112.2
114P40.4Very low39.5Very low106 Ų106135.9 Ų135.969%0.68876%0.759SS**  trans-109.2116.9-16136.9-25000113.1
115K36.2Very low40.1Very low216 Ų216138.3 Ų138.394%0.93976%0.759SS**  trans-174.8100.3156.6-120.3175.9177.4-1790111.5
116A34Very low40.6Very low100 Ų100140.8 Ų140.883%0.82676%0.763SS**  trans-158.6112.1148.300000107.6
117A39.6Very low40.7Very low100 Ų100147.9 Ų147.983%0.82679%0.786SS**  trans-52.5137.3-178.900000112K119A117-K119 PolarHBondContact O-N 2.97Å; A117-K119 VanDerWaalsContact O-N 3.12Å
118Q44.5Very low40.6Very low199 Ų199148.5 Ų148.593%0.9378%0.783SS**  trans-16.197.3162.9-166.8175.366.300115
119K38.4Very low41.2Very low160 Ų160148.9 Ų148.970%0.69678%0.78SS**  trans-112.7125.6162.4-142.4178.2-172.4179.20107.6A117A117-K119 PolarHBondContact O-N 2.97Å; A117-K119 VanDerWaalsContact O-N 3.12Å
120T54.5Low41.7Very low75 Ų75151.4 Ų151.446%0.4678%0.783SS.*  trans-69.3155.3-17964.90000110.2Y122 G123T120-Y122 PolarHBondContact O-N 2.74Å; T120-G123 PolarHBondContact O-N 3.34Å; T120-G123 VanDerWaalsContact O-N 3.09Å
121K52.4Low42.3Very low193 Ų193150.5 Ų150.584%0.83978%0.783SS**THydrogen-bonded Turntrans-57.6-11.4-172.2-168.1178.6176.5-171.60114.8
122Y50.2Low42.6Very low198 Ų198153.4 Ų153.478%0.77679%0.791SS**THydrogen-bonded Turntrans-122.19.3-177.5-76.2-83.8000114.8T120 D124T120-Y122 PolarHBondContact O-N 2.74Å; Y122-D124 VanDerWaalsContact C-N 3.29Å; Y122-D124 PolarHBondContact O-N 3.46Å
123G50.3Low43.5Very low45 Ų45152.7 Ų152.746%0.46479%0.792SS.*  trans70.412.3162.200000117.2T120T120-G123 PolarHBondContact O-N 3.34Å; T120-G123 VanDerWaalsContact O-N 3.09Å
124D49.5Very low44.6Very low128 Ų128152 Ų15268%0.68479%0.787SS**PPolyproline II helixtrans-84.6135.7167.2-75.8-46.8000110.5Y122Y122-D124 VanDerWaalsContact C-N 3.29Å; Y122-D124 PolarHBondContact O-N 3.46Å
125E49.7Very low44.9Very low175 Ų175155.5 Ų155.582%0.81879%0.794SS**PPolyproline II helixtrans-77.1125.8170.6-58.5-164153.400108.5
126M45.9Very low45.6Very low161 Ų161150.5 Ų150.579%0.79378%0.782SS**PPolyproline II helixtrans-83.9120.7175.4-52.9-75.2-69.300107.4
127E38.6Very low46.7Very low272 Ų272155.1 Ų155.1100%1.27178%0.778SS**  trans-72.40161.2-122.5178.7108.700110.7

Retrieved 127 of 127 residues in 144.7 ms (Link to these results)